SCHEMBL9726397

SCHEMBL9726397

CCOc1cc(CNc2cnn(C(C)C)c(=O)c2C)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
APAF1 O14727 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
PDE9A O76083 2/20 0.40
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
LIPG Q9Y5X9 1/20 0.38
HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9726861 0.92 POLB (0.41) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726540 0.89 KDM4E (0.44) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL10599611 0.89 BPTF (0.47) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726418 0.85 KDM4E (0.46) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726437 0.83 BPTF (0.50) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726558 0.81 PDE9A (0.49) SMN1; SMN2APAF1L3MBTL1BRD4BRD9
SCHEMBL9726609 0.81 BPTF (0.46) LMNATSHRKMT2APOLBMEN1
SCHEMBL9726652 0.81 THRB (0.39) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726598 0.81 BPTF (0.52) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9726564 0.80 PDE9A (0.58) KDM4EMAPTKMT2AMEN1THRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed